| 1 |
Theoretical determination of two structural forms of the active site in cadmium-containing phosphotriesterases
Zheng F, Zhan CG, Ornstein RL
Journal of Physical Chemistry B, 106(3), 717, 2002 |
| 2 |
Mobility of the active site bound paraoxon and sarin in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation
Koca J, Zhan CG, Rittenhouse RC, Ornstein RL
Journal of the American Chemical Society, 123(5), 817, 2001 |
| 3 |
Energy barriers for alkaline hydrolysis of carboxylic acid esters in aqueous solution by reaction field calculations
Zhan CG, Landry DW, Ornstein RL
Journal of Physical Chemistry A, 104(32), 7672, 2000 |
| 4 |
Theoretical studies of fundamental pathways for alkaline hydrolysis of carboxylic acid esters in gas phase
Zhan CG, Landry DW, Ornstein RL
Journal of the American Chemical Society, 122(7), 1522, 2000 |
| 5 |
Reaction pathways and energy barriers for alkaline hydrolysis of carboxylic acid esters in water studied by a hybrid supermolecule-polarizable continuum approach
Zhan CG, Landry DW, Ornstein RL
Journal of the American Chemical Society, 122(11), 2621, 2000 |
| 6 |
Determination of two structural forms of catalytic bridging ligand in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation
Zhan CG, de Souza ON, Rittenhouse R, Ornstein RL
Journal of the American Chemical Society, 121(32), 7279, 1999 |
| 7 |
Mechanism of Nucleophilic Aromatic-Substitution of 1-Chloro-2,4-Dinitrobenzene by Glutathione in the Gas-Phase and in Solution - Implications for the Mode of Action of Glutathione S-Transferases
Zheng YJ, Ornstein RL
Journal of the American Chemical Society, 119(4), 648, 1997 |
| 8 |
Role of Active-Site Tyrosine in Glutathione-S-Transferase - Insights from a Theoretical-Study on Model Systems
Zheng YJ, Ornstein RL
Journal of the American Chemical Society, 119(7), 1523, 1997 |
| 9 |
A Molecular-Dynamics and Quantum-Mechanics Analysis of the Effect of DMSO on Enzyme Structure and Dynamics - Subtilisin
Zheng YJ, Ornstein RL
Journal of the American Chemical Society, 118(17), 4175, 1996 |
| 10 |
A Theoretical-Study of the Structures of Flavin in Different Oxidation and Protonation States
Zheng YJ, Ornstein RL
Journal of the American Chemical Society, 118(39), 9402, 1996 |
